SCHEMBL6420249

SCHEMBL6420249

O=C(OCc1cccs1)C(=O)On1cnc2c1CCN(C(=O)O)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HSD17B10 Q99714 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.33
PDK2 Q15119 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDE4D Q08499 1/20 0.33
P2RX7 Q99572 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
NAMPT P43490 1/20 0.32
ME2 P23368 1/20 0.32
ME1 P48163 1/20 0.32
ME3 Q16798 1/20 0.32
CYP2D6 P10635 1/20 0.32
KDM4E B2RXH2 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6419655 0.90 PTGDR2 (0.37) PTGDR2LMNANPC1RAB9AHSD17B10
SCHEMBL6420064 0.82 GRIN2B (0.38) PTGDR2PDK2P2RX7ALDH1A1KDM4E
SCHEMBL6422607 0.80 P2RX7 (0.43) PTGDR2POLBPDK2P2RX7ALDH1A1
SCHEMBL6419465 0.80 PDK2 (0.36) PTGDR2NPC1RAB9APOLBPDK2
SCHEMBL6423530 0.79 PTGDR2 (0.36) PTGDR2PDK2P2RX7ALDH1A1MEN1
SCHEMBL6422626 0.79 PTGDR2 (0.37) PTGDR2LMNANPC1RAB9APDK2
SCHEMBL6420047 0.79 PTGDR2 (0.37) PTGDR2PDK2P2RX7MEN1KMT2A
SCHEMBL6420512 0.79 GRIN2B (0.40) LMNAPOLBALDH1A1
SCHEMBL6423885 0.79 PTGDR2 (0.37) PTGDR2PDK2P2RX7
SCHEMBL6424323 0.78 P2RX7 (0.44) PDK2P2RX7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US disclosed
EP-1173438-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-23 EP disclosed
WO-2000063208-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed